SCHEMBL4010935

SCHEMBL4010935

CCCS(=O)(=O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL878312 0.85 CYP2D6 (0.53) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL27478783 0.82 LMNA (0.44) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL29296549 0.79 NPC1 (0.47) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL10691576 0.77 CA2 (0.53) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL17591345 0.77 RAB9A (0.44) NPC1RAB9ACYP2D6CYP2C9CYP2C19
Butane SCHEMBL6403113 0.76 CYP2D6 (0.48) CYP2D6CYP2C9CYP2C19LMNARECQL
SCHEMBL17850538 0.76 RAB9A (0.47) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL27570709 0.76 NPC1 (0.47) NPC1RAB9ACYP2C9CYP2C19LMNA
SCHEMBL7832362 0.75 CYP2C9 (0.52) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL4609793 0.74 HPGD (0.44) NPC1RAB9ACYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
WO-2021195278-A1 TRICYCLIC INHIBITORS OF INFLUENZA VIRUS ENDONUCLEASE WEBB THOMAS R (US) 2021-09-30 WO disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE NPC1 40/4885RAB9A 494/4885CYP2D6 2787/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 NPC1 3044/4885RAB9A 3172/4885CYP2D6 769/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE NPC1 36/4885RAB9A 448/4885CYP2D6 2552/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.